/* 
 * File:   carbonlattice.cpp
 * Author: medved
 *
 * Created on February 10, 2014, 5:39 AM
 */


#include "lattice/lattice.hpp"
#include "tersoff/tersoffutils.hpp"
#include "lattice/diamondcubiclat.hpp"
#include "carbonpowell.hpp"

using namespace std;

/*
 * 
 */
int main(int argc, char** argv) {
    DiamondCubic sl(1, 3, 3.564);
    Lattice lat;
    sl.fillLattice(lat);
    TersoffParams tpar;
    CarbonPowell::fillInParams(tpar);
    TersoffUtils tutil(&tpar);
    tutil.setLatticeBase(&lat);
    double E = tutil.computeEnergy();
    printf("%lf\n", E / 18);
    return 0;
}

